CID 155943536

[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanol

Structural Information

Molecular Formula

C₇H₁₂F₂O₂

SMILES

COCC1(CC(C1)(F)F)CO

InChI

InChI=1S/C7H12F2O2/c1-11-5-6(4-10)2-7(8,9)3-6/h10H,2-5H2,1H3

InChIKey

RXIIJWRNAPERPK-UHFFFAOYSA-N

Compound name

[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.08054 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.08782	139.5
[M+Na]+	189.06976	143.8
[M+NH4]+	184.11436	144.8
[M+K]+	205.04370	137.2
[M-H]-	165.07326	134.5
[M+Na-2H]-	187.05521	142.4
[M]+	166.07999	137.6
[M]-	166.08109	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe